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Metabolic Enzyme/Protease
Adenosine Deaminase
1H-Imidazole-4-carboxamide, 1-((1R,2S)-2-hydroxy-1-(2-(1-naphthalenyl)ethyl)propyl)- , CAS No.256461-79-7

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1H-Imidazole-4-carboxamide, 1-((1R,2S)-2-hydroxy-1-(2-(1-naphthalenyl)ethyl)propyl)- , CAS No.256461-79-7

COA

Cas Number: 256461-79-7
Molecular Weight: 323.4
PubChem CID: 449013

In stock

Item Number

H668292

Grouped product items
SKU	Size	Availability	Price	Qty
H668292-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90
H668292-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,999.90

View related series

Amino Acid/Protein Metabolism (1836)

Basic Description

Synonyms	FR-234938 \| UNII-10302WQ21V \| (+)-FR-234938 \| 10302WQ21V \| 1H-Imidazole-4-carboxamide, 1-((1R,2S)-2-hydroxy-1-(2-(1-naphthalenyl)ethyl)propyl)- \| FR234938 \| 1-((3R,4S)-4-hydroxy-1-(naphthalen-1-yl)pentan-3-yl)-1H-imidazole-4-carboxamide \| 1-[(1R,2S)-2-hyd

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Naphthalenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Naphthalenes
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Naphthalenes
Alternative Parents	2-heteroaryl carboxamides Carbonylimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Secondary alcohols Primary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Naphthalene - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Primary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alcohol - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Product Properties

ALogP	2.5

Associated Targets(Human)

ADA Tclin Adenosine deaminase (2 Activities)

Discover Target: ADA

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADA Tclin Adenosine deaminase (129 Activities)

Discover Target: ADA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Canis familiaris (36305 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	1-[(3R,4S)-4-hydroxy-1-naphthalen-1-ylpentan-3-yl]imidazole-4-carboxamide
INCHI	InChI=1S/C19H21N3O2/c1-13(23)18(22-11-17(19(20)24)21-12-22)10-9-15-7-4-6-14-5-2-3-8-16(14)15/h2-8,11-13,18,23H,9-10H2,1H3,(H2,20,24)/t13-,18+/m0/s1
InChIKey	OODDZQQDDOVCFD-SCLBCKFNSA-N
Smiles	CC(C(CCC1=CC=CC2=CC=CC=C21)N3C=C(N=C3)C(=O)N)O
Isomeric SMILES	C[C@@H]([C@@H](CCC1=CC=CC2=CC=CC=C21)N3C=C(N=C3)C(=O)N)O
PubChem CID	449013
Molecular Weight	323.4

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	323.400 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	323.163 Da
Monoisotopic Mass	323.163 Da
Topological Polar Surface Area	81.100 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	431.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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